SCHEMBL7793570

SCHEMBL7793570

COc1cc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GLO1 Q04760 4/20 0.47
ABL1 P00519 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TRIM24 O15164 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX5 P09917 2/20 0.46
NFKB1 P19838 2/20 0.46
HSD11B1 P28845 2/20 0.46
STAT3 P40763 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NFE2L2 Q16236 2/20 0.46
EGFR P00533 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7784722 0.90 ALDH1A1 (0.47) MAPTALDH1A1TDP1CYP1A2APP
SCHEMBL8842889 0.90 ALDH1A1 (0.47) MAPTALDH1A1TDP1CYP1A2APP
SCHEMBL8842877 0.86 PTP4A3 (0.51) MAPTABL1ALDH1A1HPGDTDP1
SCHEMBL7794250 0.86 PTP4A3 (0.51) MAPTABL1ALDH1A1HPGDTDP1
SCHEMBL8842926 0.85 GAA (0.44) MAPTALDH1A1HPGDTDP1CYP1A2
SCHEMBL7784710 0.85 GAA (0.44) MAPTALDH1A1HPGDTDP1CYP1A2
SCHEMBL7784713 0.82 HDAC1 (0.48) MAPTALDH1A1HPGDTDP1KMT2A
SCHEMBL7790430 0.82 POLB (0.53) MAPTALDH1A1HPGDAPPKDM4E
SCHEMBL7784715 0.82 HDAC1 (0.48) MAPTALDH1A1HPGDTDP1KMT2A
SCHEMBL8842878 0.82 POLB (0.53) MAPTALDH1A1HPGDAPPKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723969-B1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AG (DE) 2001-11-14 EP disclosed
US-5627173-A Phosphonoacetic acid derivatives and their use for treating degenerative joint disorders HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0723969-A1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed